2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

C33H44N4O2S — CID 121315191

IUPAC2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESCCC(c1sc2c(c1C)C(=O)N(Cc1c(C)cc(C)nc1OCc1ccccc1)CC2)N1CCC(N(C)C)CC1
InChIInChI=1S/C33H44N4O2S/c1-7-28(36-16-13-26(14-17-36)35(5)6)31-24(4)30-29(40-31)15-18-37(33(30)38)20-27-22(2)19-23(3)34-32(27)39-21-25-11-9-8-10-12-25/h8-12,19,26,28H,7,13-18,20-21H2,1-6H3
InChIKeySIMCILMEDNDVTF-UHFFFAOYSA-N
MW560.81 g/mol
LogP6.32
Rot. Bonds9

About 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one (PubChem CID 121315191) has the molecular formula C33H44N4O2S and a molecular weight of 560.81 g/mol. Its IUPAC name is 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one
PubChem CID121315191
Molecular FormulaC33H44N4O2S
Molecular Weight560.81 g/mol
Exact Mass560.32
IUPAC Name2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESCCC(c1sc2c(c1C)C(=O)N(Cc1c(C)cc(C)nc1OCc1ccccc1)CC2)N1CCC(N(C)C)CC1
InChIInChI=1S/C33H44N4O2S/c1-7-28(36-16-13-26(14-17-36)35(5)6)31-24(4)30-29(40-31)15-18-37(33(30)38)20-27-22(2)19-23(3)34-32(27)39-21-25-11-9-8-10-12-25/h8-12,19,26,28H,7,13-18,20-21H2,1-6H3
InChIKeySIMCILMEDNDVTF-UHFFFAOYSA-N
XLogP6.32
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.81
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one (CID 121315191) is 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one is CCC(c1sc2c(c1C)C(=O)N(Cc1c(C)cc(C)nc1OCc1ccccc1)CC2)N1CCC(N(C)C)CC1.
What is the InChIKey of 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The InChIKey is SIMCILMEDNDVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N4O2S/c1-7-28(36-16-13-26(14-17-36)35(5)6)31-24(4)30-29(40-31)15-18-37(33(30)38)20-27-22(2)19-23(3)34-32(27)39-21-25-11-9-8-10-12-25/h8-12,19,26,28H,7,13-18,20-21H2,1-6H3.
What are the key properties of 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one?
2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one has a molecular weight of 560.81 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(dimethylamino)piperidin-1-yl]propyl]-5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 121315191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).